Using VASP

Moderators: Global Moderator, Moderator

New Topic

5501 topics

Page 1 of 276
- Jump to page:
1
2
3
4
5
…
276
Next

Topics

Replies

Views

Last post

Posting guidelines

Last post by admin « Mon Sep 24, 2018 1:44 pm

by admin » Mon Sep 24, 2018 1:44 pm

0 Replies

168853 Views

Last post by admin
Mon Sep 24, 2018 1:44 pm
large oscillator strength but small imaginary dielectric function

Last post by kaynat_kalvi « Mon Apr 07, 2025 9:30 am
Replies: 3
by awang95 » Wed Jan 03, 2024 8:31 am

3 Replies

8138 Views

Last post by kaynat_kalvi
Mon Apr 07, 2025 9:30 am
Merging two or more ML_AB files

Last post by marie-therese.huebsch « Mon Apr 07, 2025 9:07 am
Replies: 5
by ivan.kondov@kit.edu » Fri Mar 28, 2025 1:46 pm

5 Replies

189588 Views

Last post by marie-therese.huebsch
Mon Apr 07, 2025 9:07 am
1D-like charge system

Last post by marie-therese.huebsch « Mon Apr 07, 2025 6:30 am
Replies: 1
by paulanatalia_abufager » Sun Apr 06, 2025 10:09 am

1 Replies

5816 Views

Last post by marie-therese.huebsch
Mon Apr 07, 2025 6:30 am
r2SCAN calculations consistently underestimating energy

Last post by marie-therese.huebsch « Fri Apr 04, 2025 1:48 pm
Replies: 1
by rmz4ed » Fri Apr 04, 2025 1:40 pm

1 Replies

44098 Views

Last post by marie-therese.huebsch
Fri Apr 04, 2025 1:48 pm
Memory usage of VASP

Last post by andreas.singraber « Wed Apr 02, 2025 7:47 am
Replies: 2
by chamara_somarathna » Mon Mar 31, 2025 6:28 pm

2 Replies

72585 Views

Last post by andreas.singraber
Wed Apr 02, 2025 7:47 am
WF convergence issue

Last post by marie-therese.huebsch « Wed Apr 02, 2025 7:00 am
Replies: 5
by aldo_romero1 » Fri Mar 28, 2025 1:19 pm

5 Replies

146262 Views

Last post by marie-therese.huebsch
Wed Apr 02, 2025 7:00 am
NEB calculations using MLFF

Last post by marie-therese.huebsch « Tue Apr 01, 2025 12:33 pm
Replies: 3
by melissa_sanseverino » Tue Mar 25, 2025 5:23 pm

3 Replies

76957 Views

Last post by marie-therese.huebsch
Tue Apr 01, 2025 12:33 pm
Delta-SCF (ΔSCF)

Last post by marie-therese.huebsch « Tue Apr 01, 2025 7:57 am
Replies: 1
by idan_haritan » Wed Mar 26, 2025 1:24 pm

1 Replies

30426 Views

Last post by marie-therese.huebsch
Tue Apr 01, 2025 7:57 am
it become slower train when copying ML_ABN to ML_AB to continue to train

Last post by marie-therese.huebsch « Mon Mar 31, 2025 10:08 am
Replies: 1
by suojiang_zhang1 » Sat Mar 29, 2025 9:53 am

1 Replies

25520 Views

Last post by marie-therese.huebsch
Mon Mar 31, 2025 10:08 am
All lectron Carbon PseadoPotential

Last post by martin.schlipf « Mon Mar 31, 2025 9:17 am
Replies: 4
by ronald_redmer1 » Fri Mar 21, 2025 9:50 pm

4 Replies

103366 Views

Last post by martin.schlipf
Mon Mar 31, 2025 9:17 am
Momentum Matrix elements

Last post by manuel_engel1 « Sat Mar 29, 2025 12:53 pm
Replies: 17
by kaynat_kalvi » Mon Feb 17, 2025 10:56 am
1

2
17 Replies

774383 Views

Last post by manuel_engel1
Sat Mar 29, 2025 12:53 pm
Insufficient FFT grids for ML_FF production run

Last post by chamara_somarathna « Fri Mar 28, 2025 3:15 pm
Replies: 2
by chamara_somarathna » Mon Mar 24, 2025 7:13 pm

2 Replies

30149 Views

Last post by chamara_somarathna
Fri Mar 28, 2025 3:15 pm
VASP 6.4.0 segmentation fault

Last post by marie-therese.huebsch « Fri Mar 28, 2025 2:47 pm
Replies: 1
by ahsan_javed » Thu Mar 27, 2025 12:02 pm

1 Replies

57833 Views

Last post by marie-therese.huebsch
Fri Mar 28, 2025 2:47 pm
dft+U

Last post by marie-therese.huebsch « Fri Mar 28, 2025 2:25 pm
Replies: 1
by atul_pandey » Fri Mar 28, 2025 7:14 am

1 Replies

54039 Views

Last post by marie-therese.huebsch
Fri Mar 28, 2025 2:25 pm
ML training in NpH ensemble leads to a soft stop based on dEPOT

Last post by marie-therese.huebsch « Fri Mar 28, 2025 2:08 pm
Replies: 3
by chamara_somarathna » Mon Mar 24, 2025 6:45 pm

3 Replies

85613 Views

Last post by marie-therese.huebsch
Fri Mar 28, 2025 2:08 pm
lattice thermal conductivity for 2d material

Last post by atul_pandey « Thu Mar 27, 2025 7:23 pm

by atul_pandey » Thu Mar 27, 2025 7:23 pm

0 Replies

17890 Views

Last post by atul_pandey
Thu Mar 27, 2025 7:23 pm
Dielectric function beyond IPA

Last post by atul_pandey « Thu Mar 27, 2025 1:20 pm
Replies: 4
by atul_pandey » Thu Mar 13, 2025 9:24 am

4 Replies

145159 Views

Last post by atul_pandey
Thu Mar 27, 2025 1:20 pm
Question about the phonon dispersion in the tutorial (part 1)

Last post by Fermi1976 « Wed Mar 26, 2025 8:26 pm
Replies: 5
by reynaldo.putra » Mon Mar 24, 2025 10:28 pm

5 Replies

128332 Views

Last post by Fermi1976
Wed Mar 26, 2025 8:26 pm
How to calculate electron phonon coupling const.( lambda) for superconducting temperature calculation.

Last post by marie-therese.huebsch « Tue Mar 25, 2025 10:38 am
Replies: 3
by Kuldeep_kargeti » Tue Mar 25, 2025 8:55 am

3 Replies

35826 Views

Last post by marie-therese.huebsch
Tue Mar 25, 2025 10:38 am

New Topic

5501 topics

Page 1 of 276
- Jump to page:
1
2
3
4
5
…
276
Next

Return to Board Index

Forum permissions

You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum